N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide

C10H22BrNO3S — CID 107206344

IUPACN-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCCCCBr
InChIInChI=1S/C10H22BrNO3S/c1-3-15-9-10-16(13,14)12(2)8-6-4-5-7-11/h3-10H2,1-2H3
InChIKeyAHAHSDNOPSNHDO-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.85
Rot. Bonds10

About N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide

N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 107206344) has the molecular formula C10H22BrNO3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID107206344
Molecular FormulaC10H22BrNO3S
Molecular Weight316.26 g/mol
Exact Mass315.05
IUPAC NameN-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)CCCCCBr
InChIInChI=1S/C10H22BrNO3S/c1-3-15-9-10-16(13,14)12(2)8-6-4-5-7-11/h3-10H2,1-2H3
InChIKeyAHAHSDNOPSNHDO-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
CID 107206313
N-(2-chloroethyl)-2-ethoxy-N-methylethanesulfonamide
CID 63396523
N-(3-bromopropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 106441750
N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
CID 106441706
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
CID 55173527
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55137039
1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
9-[bis(2-ethoxyethyl)amino]nonane-1-thiol
CID 105344268

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide (CID 107206344) is N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)CCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is AHAHSDNOPSNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3S/c1-3-15-9-10-16(13,14)12(2)8-6-4-5-7-11/h3-10H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide?
N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 316.26 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 107206344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).